3-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-1-[4-[(1-ethyl-3-methyl-pyrazol-4-yl)methyl]piperazin-1-yl]-2-methyl-propan-1-one

Systemtic Name: 3-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-1-[4-[(1-ethyl-3-methyl-pyrazol-4-yl)methyl]piperazin-1-yl]-2-methyl-propan-1-one Openeye Name: 3-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-1-[4-[(1-ethyl-3-methyl-pyrazol-4-yl)methyl]piperazin-1-yl]-2-methyl-propan-1-one CAS Name: 3-(3,5-dimethyl-4-nitro-1-pyrazolyl)-1-[4-[(1-ethyl-3-methyl-4-pyrazolyl)methyl]-1-piperazinyl]-2-methyl-1-propanone IUPAC Name: 3-(3,5-dimethyl-4-nitropyrazol-1-yl)-1-[4-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperazin-1-yl]-2-methylpropan-1-one Traditional Name: 3-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-1-[4-[(1-ethyl-3-methyl-pyrazol-4-yl)methyl]piperazino]-2-methyl-propan-1-one Formula: C20H31N7O3 MolecularWeight: 417.50524

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=N1)C)CN2CCN(CC2)C(=O)C(C)CN3C(=C(C(=N3)C)[N+](=O)[O-])C

Isomeric SMILES

CCN1C=C(C(=N1)C)CN2CCN(CC2)C(=O)C(C)CN3C(=C(C(=N3)C)[N+](=O)[O-])C

InChI

InChI=1S/C20H31N7O3/c1-6-25-13-18(15(3)21-25)12-23-7-9-24(10-8-23)20(28)14(2)11-26-17(5)19(27(29)30)16(4)22-26/h13-14H,6-12H2,1-5H3